Author

Ming Du

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Preprint Oct 2026

Differentiable powder X-ray diffraction enables analysis of evolving structures

Operando and in-situ experiments extend powder X-ray diffraction (PXRD) to materials that evolve during experiments, producing series of hundreds or thousands of patterns. Such series are commonly refined one pattern at a time, so weak signals give noisy structural trajectories. Parametric refinement instead fits a sha...

Xiang-Yu Yin, Nina Andrejevic, Hemant Sharma et al. · 0 citations

Review Sep 2026

Strategies for Deploying AI Agents in Production at Scientific User Facilities

Agentic artificial intelligence (AI) is moving beyond research demonstrations toward production use at scientific user facilities, including light sources, neutron sources, nanoscience centers, and autonomous laboratories. Its scientific value extends beyond increasing throughput. Agents can perform repeatable tasks in...

Ming Du, Xiang-Yu Yin, Michael H. Prince et al. · 0 citations

Preprint Aug 2026

Artifact-centered Claim-aware Observability for Autonomous Scientific Agents

This work argues that autonomous scientific systems should emit portable, claim-aware artifact lineage as a minimum audit layer, and proposes a compact observability profile organized around individuals, operators, fitness records, lineage, archives, runs, streams, and steering commands.

Xiang-Yu Yin, Ming Du, Michael H. Prince et al. · 1 citation